2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one
2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D081-0039 |
| Compound Name: | 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 554.48 |
| Molecular Formula: | C29 H32 Br N O5 |
| Smiles: | CCOc1ccc(cc1OCC)C1c2cc(c(cc2CC(N1c1ccc(cc1)[Br])=O)OCC)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2605 |
| logD: | 5.2605 |
| logSw: | -5.179 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.158 |
| InChI Key: | OBJWWYRMGWEKDV-LJAQVGFWSA-N |